Search Results - "Levchenko, V. V."

Attitude to tattooing in modern Russian society: Regional aspect by Levchenko, V. V.

“…The article considers theoretical and applied basis for analyzing tattooing phenomenon as one of the most widespread bodily practices in modern society. The…”
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Beyond Scaling Relations for the Description of Catalytic Materials by Andersen, Mie, Levchenko, Sergey V, Scheffler, Matthias, Reuter, Karsten

“…Computational screening for new and improved catalyst materials relies on accurate and low-cost predictions of key parameters such as adsorption energies…”
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Big data of materials science: critical role of the descriptor by Ghiringhelli, Luca M, Vybiral, Jan, Levchenko, Sergey V, Draxl, Claudia, Scheffler, Matthias

“…Statistical learning of materials properties or functions so far starts with a largely silent, nonchallenged step: the choice of the set of descriptive…”
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Ni Single Atom Catalysts for CO2 Activation by Millet, Marie-Mathilde, Algara-Siller, Gerardo, Wrabetz, Sabine, Mazheika, Aliaksei, Girgsdies, Frank, Teschner, Detre, Seitz, Friedrich, Tarasov, Andrey, Levchenko, Sergey V, Schlögl, Robert, Frei, Elias

“…We report on the activation of CO2 on Ni single-atom catalysts. These catalysts were synthesized using a solid solution approach by controlled substitution of…”
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Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence by Han, Zhong-Kang, Sarker, Debalaya, Ouyang, Runhai, Mazheika, Aliaksei, Gao, Yi, Levchenko, Sergey V.

“…Single-atom-alloy catalysts (SAACs) have recently become a frontier in catalysis research. Simultaneous optimization of reactants’ facile dissociation and a…”
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Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides by Mazheika, Aliaksei, Wang, Yang-Gang, Valero, Rosendo, Viñes, Francesc, Illas, Francesc, Ghiringhelli, Luca M., Levchenko, Sergey V., Scheffler, Matthias

“…Catalytic-materials design requires predictive modeling of the interaction between catalyst and reactants. This is challenging due to the complexity and…”
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Learning physical descriptors for materials science by compressed sensing by Ghiringhelli, Luca M, Vybiral, Jan, Ahmetcik, Emre, Ouyang, Runhai, Levchenko, Sergey V, Draxl, Claudia, Scheffler, Matthias

“…The availability of big data in materials science offers new routes for analyzing materials properties and functions and achieving scientific understanding…”
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Social and socio-psychological peculiarities of adolescent aggression in modern Russian society: regional aspect by Levchenko, V. V.

“…Urgent problems of adolescent aggression as an integral part of deviant behavior, which often manifests itselfprecisely in the adolescent complex…”
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Coherent vibrational dynamics reveals lattice anharmonicity in organic–inorganic halide perovskite nanocrystals by Debnath, Tushar, Sarker, Debalaya, Huang, He, Han, Zhong-Kang, Dey, Amrita, Polavarapu, Lakshminarayana, Levchenko, Sergey V., Feldmann, Jochen

“…The halide ions of organic-inorganic hybrid perovskites can strongly influence the interaction between the central organic moiety and the inorganic metal…”
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First-principles supercell calculations of small polarons with proper account for long-range polarization effects by Kokott, Sebastian, Levchenko, Sergey V, Rinke, Patrick, Scheffler, Matthias

“…We present a density functional theory (DFT) based supercell approach for modeling small polarons with proper account for the long-range elastic response of…”
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Ethnic stereotypes and prejudices of modern Russian youth by Levchenko, V. V., Pavlenina, T. Yu

“…The article examines the theoretical foundations of the analysis of ethnic stereotypes and prejudices that have developed in modern sociological and…”
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First-Principles Atomistic Thermodynamics and Configurational Entropy by Sutton, Christopher, Levchenko, Sergey V

“…In most applications, functional materials operate at finite temperatures and are in contact with a reservoir of atoms or molecules (gas, liquid, or solid). In…”
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SOCIAL ADAPTATION OF EMPLOYEES IN RUSSIAN TELECOMMUNICATION ORGANIZATIONS by Levchenko, V.

“…The actual issues of social adaptation of workers in modern organizations as one of the elements of the application of a scientific approach to the growth of…”
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Experience in applying large language models to analyse sociological data obtained as a result of interviews on students’ perception of entrepreneurial activity by Ashikhmin, E. G., Levchenko, V. V., Seletkova, G. I.

“…Modern society is experiencing a digital transformation of various spheres associated with the development of artificial intelligence and big data. The…”
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Concentration of vacancies at metal-oxide surfaces: case study of MgO(100) by Richter, Norina A, Sicolo, Sabrina, Levchenko, Sergey V, Sauer, Joachim, Scheffler, Matthias

“…We investigate the effects of doping on the formation energy and concentration of oxygen vacancies at a metal-oxide surface, using MgO(100) as an example. Our…”
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Attitude to the childfree phenomenon of modern youth: regional aspect by Levchenko, V. V., Bayandina, Ya. O.

“…The article provides an overview of key theoretical approaches to the phenomenon of voluntary and deliberate childlessness, or childfree phenomenon, which are…”
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Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations by Zhang, Igor Ying, Logsdail, Andrew J, Ren, Xinguo, Levchenko, Sergey V, Ghiringhelli, Luca, Scheffler, Matthias

“…Understanding the applicability and limitations of electronic-structure methods needs careful and efficient comparison with accurate reference data. Knowledge…”
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Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms by Bhattacharya, Saswata, Levchenko, Sergey V, Ghiringhelli, Luca M, Scheffler, Matthias

“…A first principles-based methodology for efficiently and accurately finding thermodynamically stable and metastable atomic structures is introduced and…”
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Influence of ferroelectric polarization on the equilibrium stoichiometry of lithium niobate (0001) surfaces by Levchenko, Sergey V, Rappe, Andrew M

“…We present a first-principles density functional theory study predicting the relative thermodynamic stability of ferroelectric lithium niobate (LiNbO3) (0001)…”
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Experimental identification of the fractional parameter of the fractional derivative standard linear solid model for fiber-reinforced rubber concrete by Popov, Ivan I., Shitikova, Marina V., Levchenko, Artem V., Zhukov, Alexey D.

“…This paper studies the influence of different factors, such as polymer and fiber type and aging, on the internal friction and fractional parameter, which are…”
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